5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione

C14H18N2O2 — CID 113430281

IUPAC5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione
SMILESCC1CN(CC(C)c2ccccc2)C(=O)NC1=O
InChIInChI=1S/C14H18N2O2/c1-10(12-6-4-3-5-7-12)8-16-9-11(2)13(17)15-14(16)18/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,18)
InChIKeyIKXZGLOKSSBILC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.98
Rot. Bonds3

About 5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione

5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione (PubChem CID 113430281) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione
PubChem CID113430281
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione
SMILESCC1CN(CC(C)c2ccccc2)C(=O)NC1=O
InChIInChI=1S/C14H18N2O2/c1-10(12-6-4-3-5-7-12)8-16-9-11(2)13(17)15-14(16)18/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,18)
InChIKeyIKXZGLOKSSBILC-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione (CID 113430281) is 5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione is CC1CN(CC(C)c2ccccc2)C(=O)NC1=O.
What is the InChIKey of 5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione?
The InChIKey is IKXZGLOKSSBILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(12-6-4-3-5-7-12)8-16-9-11(2)13(17)15-14(16)18/h3-7,10-11H,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of 5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione?
5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione has a molecular weight of 246.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 113430281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).